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	hartrees
Energy at 0K	-94.619284
Energy at 298.15K
HF Energy	-94.619284
Nuclear repulsion energy	33.033608

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3474	3316	4.43
2	A'	3145	3002	43.97
3	A'	3041	2902	58.82
4	A'	1748	1669	25.10
5	A'	1515	1445	6.27
6	A'	1398	1334	43.32
7	A'	1094	1044	36.50
8	A"	1191	1136	54.08
9	A"	1100	1050	16.33

Atom	x (Å)	y (Å)
C1	0.056	0.581
N2	0.056	-0.681
H3	-0.839	1.215
H4	1.013	1.105
H5	-0.899	-1.039

	C1	N2	H3	H4	H5
C1		1.2620	1.0966	1.0913	1.8810
N2	1.2620		2.0967	2.0261	1.0203
H3	1.0966	2.0967		1.8553	2.2555
H4	1.0913	2.0261	1.8553		2.8732
H5	1.8810	1.0203	2.2555	2.8732

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.567		N2	C1	H3	125.340
N2	C1	H4	118.672		H3	C1	H4	115.989

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: mPW1PW91/6-311G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.248
2	N	-0.443
3	H	0.189
4	H	0.216
5	H	0.286

	x	y	z	Total
	-1.472	1.422	0.000	2.047
CHELPG
AIM
ESP

	x	y	z
x	2.591	0.209	-0.001
y	0.209	3.766	-0.000
z	-0.001	-0.000	1.442

<r²>	19.447
(<r²>)^1/2	4.410

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: mPW1PW91/6-311G*

States and conformations

All results from a given calculation for CH₂NH (Methanimine)